CID 135908258

(3z)-1-[(6-fluoro-4h-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1h-indole-2,3-dione 3-oxime

Structural Information

Molecular Formula
C23H17FN2O4
SMILES
C1C2=C(C(=CC(=C2)F)CN3C4=CC=CC(=C4C(=C3O)N=O)C5=CC=CC=C5)OCO1
InChI
InChI=1S/C23H17FN2O4/c24-17-9-15(22-16(10-17)12-29-13-30-22)11-26-19-8-4-7-18(14-5-2-1-3-6-14)20(19)21(25-28)23(26)27/h1-10,27H,11-13H2
InChIKey
WUSSFSFZXULXOP-UHFFFAOYSA-N
Compound name
1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-nitroso-4-phenylindol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

404.11725 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12453 194.9
[M+Na]+ 427.10647 205.0
[M-H]- 403.10997 206.0
[M+NH4]+ 422.15107 204.9
[M+K]+ 443.08041 201.1
[M+H-H2O]+ 387.11451 183.8
[M+HCOO]- 449.11545 213.5
[M+CH3COO]- 463.13110 205.4
[M+Na-2H]- 425.09192 198.7
[M]+ 404.11670 198.5
[M]- 404.11780 198.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe